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What is the electron density?

Fortin, Sebastian and Lombardi, Olimpia (2024) What is the electron density? [Preprint]

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Abstract

Although the electron density can be calculated with the formal resources of quantum mechanics, in physics it does not play the leading role that the quantum state does. In contrast, the concept of electron density is central in quantum chemistry. There is no doubt about how the electron density is computed in terms of the wave function of an atom or molecule. However, when the interpretation of the concept is at stake, there is no general agreement. In this article we will analyze the two main interpretations of the concept of electron density: the Born-style probability density interpretation and the Schrödinger-style charge density interpretation. In particular, we will examine their differences, their relations with quantum mechanics and the consequences that each of them entails from a strictly quantum point of view.


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Item Type: Preprint
Creators:
CreatorsEmailORCID
Fortin, Sebastiansfortin@conicet.gov.ar0000-0002-4531-7461
Lombardi, Olimpiaolimpiafilo@arnet.com.ar
Keywords: Probability density interpretation; Charge density interpretation; Quantum chemistry; Quantum mechanics; Bohmian mechanics
Subjects: Specific Sciences > Chemistry
Specific Sciences > Physics > Quantum Mechanics
Depositing User: Dr. Sebastian Fortin
Date Deposited: 29 Jan 2025 13:47
Last Modified: 29 Jan 2025 13:47
Item ID: 24650
Subjects: Specific Sciences > Chemistry
Specific Sciences > Physics > Quantum Mechanics
Date: 2024
URI: https://philsci-archive.pitt.edu/id/eprint/24650

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